REMARK Name = BDB000305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.960 -0.673 0.697 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.992 0.310 0.410 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.373 -0.005 0.309 0.00 0.00 +0.079 A ATOM 4 N LIG 1 1.364 0.982 0.049 0.00 0.00 -0.265 N ATOM 5 C LIG 1 2.690 0.611 -0.170 0.00 0.00 +0.268 C ATOM 6 C LIG 1 2.970 -0.918 -0.221 0.00 0.00 +0.208 C ATOM 7 O LIG 1 2.043 -1.781 0.440 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 2.936 -1.316 -1.712 0.00 0.00 +0.071 C ATOM 9 O LIG 1 3.577 1.441 -0.386 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.755 -1.336 0.498 0.00 0.00 +0.144 A ATOM 11 C LIG 1 -0.190 -2.319 0.803 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -1.540 -1.992 0.898 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 4.319 -1.206 0.463 0.00 0.00 +0.010 A ATOM 14 C LIG 1 4.400 -1.154 1.870 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.606 -1.394 2.527 0.00 0.00 +0.127 A ATOM 16 F LIG 1 5.646 -1.341 3.865 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.760 -1.685 1.821 0.00 0.00 +0.076 A ATOM 18 C LIG 1 6.694 -1.731 0.437 0.00 0.00 +0.127 A ATOM 19 F LIG 1 7.802 -2.008 -0.264 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.499 -1.495 -0.244 0.00 0.00 +0.046 A ENDBRANCH 6 13 BRANCH 1 22 ATOM 21 C LIG 1 -4.231 -0.244 -0.304 0.00 0.00 +0.056 A ATOM 22 C LIG 1 -3.381 -0.315 0.799 0.00 0.00 +0.043 A ATOM 23 C LIG 1 -3.981 -0.002 2.023 0.00 0.00 +0.129 A ATOM 24 N LIG 1 -5.276 0.324 2.141 0.00 0.00 -0.199 NA ATOM 25 C LIG 1 -6.007 0.337 1.031 0.00 0.00 +0.214 A ATOM 26 N LIG 1 -5.538 0.086 -0.191 0.00 0.00 -0.219 NA BRANCH 23 27 ATOM 27 N LIG 1 -3.246 -0.024 3.223 0.00 0.00 -0.343 N ATOM 28 H LIG 1 -2.888 -0.962 3.381 0.00 0.00 +0.144 HD ATOM 29 H LIG 1 -2.446 0.596 3.148 0.00 0.00 +0.144 HD ENDBRANCH 23 27 BRANCH 25 30 ATOM 30 N LIG 1 -7.337 0.680 1.145 0.00 0.00 -0.327 N ATOM 31 H LIG 1 -7.474 1.219 1.988 0.00 0.00 +0.145 HD ATOM 32 H LIG 1 -7.666 1.076 0.276 0.00 0.00 +0.145 HD ENDBRANCH 25 30 BRANCH 21 34 ATOM 33 C LIG 1 -4.006 -2.022 -2.060 0.00 0.00 +0.010 C ATOM 34 C LIG 1 -3.780 -0.559 -1.710 0.00 0.00 +0.053 C ENDBRANCH 21 34 ENDBRANCH 1 22 BRANCH 4 35 ATOM 35 C LIG 1 1.031 2.404 -0.034 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 C LIG 1 0.617 2.812 -1.446 0.00 0.00 +0.047 C BRANCH 36 37 ATOM 37 C LIG 1 0.341 4.305 -1.532 0.00 0.00 +0.157 C BRANCH 37 38 ATOM 38 O LIG 1 -0.116 4.608 -2.843 0.00 0.00 -0.395 OA ATOM 39 H LIG 1 -0.221 5.574 -2.896 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 9